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100910-92-7 | 3-Pentanol, 1-ethoxy-
CAS No: 100910-92-7 Catalog No: AG000362 MDL No:
Product Description
Catalog Number:
AG000362
Chemical Name:
3-Pentanol, 1-ethoxy-
CAS Number:
100910-92-7
Molecular Formula:
C7H16O2
Molecular Weight:
132.2007
IUPAC Name:
1-ethoxypentan-3-ol
InChI:
InChI=1S/C7H16O2/c1-3-7(8)5-6-9-4-2/h7-8H,3-6H2,1-2H3
InChI Key:
LQIBOAZAEQOEMM-UHFFFAOYSA-N
SMILES:
CCOCCC(CC)O
NSC Number:
163286
Properties
Complexity:
54.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.115g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.203g/mol
Monoisotopic Mass:
132.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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